5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide

C18H28N6OS — CID 45227389

IUPAC5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
SMILESCC(C)(C)CN1CCCC1c1ccc(C(=O)NCCCc2nn[nH]n2)s1
InChIInChI=1S/C18H28N6OS/c1-18(2,3)12-24-11-5-6-13(24)14-8-9-15(26-14)17(25)19-10-4-7-16-20-22-23-21-16/h8-9,13H,4-7,10-12H2,1-3H3,(H,19,25)(H,20,21,22,23)
InChIKeyFQOIQXDWFHGKGQ-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.81
Rot. Bonds7

About 5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide

5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide (PubChem CID 45227389) has the molecular formula C18H28N6OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
PubChem CID45227389
Molecular FormulaC18H28N6OS
Molecular Weight376.53 g/mol
Exact Mass376.20
IUPAC Name5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
SMILESCC(C)(C)CN1CCCC1c1ccc(C(=O)NCCCc2nn[nH]n2)s1
InChIInChI=1S/C18H28N6OS/c1-18(2,3)12-24-11-5-6-13(24)14-8-9-15(26-14)17(25)19-10-4-7-16-20-22-23-21-16/h8-9,13H,4-7,10-12H2,1-3H3,(H,19,25)(H,20,21,22,23)
InChIKeyFQOIQXDWFHGKGQ-UHFFFAOYSA-N
XLogP2.81
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-(3,3-dimethylbutyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45245622
5-[(2S)-1-propylpyrrolidin-2-yl]-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 30956731
5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 45199086
(3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
CID 126442269
5-[(2R)-1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 30854184
5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 45224902
N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 28698360
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 28882648
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 31125678
5-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 31125676
5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45206718

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide (CID 45227389) is 5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide is CC(C)(C)CN1CCCC1c1ccc(C(=O)NCCCc2nn[nH]n2)s1.
What is the InChIKey of 5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide?
The InChIKey is FQOIQXDWFHGKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6OS/c1-18(2,3)12-24-11-5-6-13(24)14-8-9-15(26-14)17(25)19-10-4-7-16-20-22-23-21-16/h8-9,13H,4-7,10-12H2,1-3H3,(H,19,25)(H,20,21,22,23).
What are the key properties of 5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide?
5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 45227389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).